CID 163195978

Mfpvp

Structural Information

Molecular Formula

C₁₆H₂₂FNO

SMILES

CCCC(C(=O)C1=CC(=C(C=C1)F)C)N2CCCC2

InChI

InChI=1S/C16H22FNO/c1-3-6-15(18-9-4-5-10-18)16(19)13-7-8-14(17)12(2)11-13/h7-8,11,15H,3-6,9-10H2,1-2H3

InChIKey

LFTWWOQOBQFPAT-UHFFFAOYSA-N

Compound name

1-(4-fluoro-3-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 263.16855 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	264.175826	163.3
[M+Na]+	286.157768	168.5
[M-H]-	262.161274	166.6
[M+NH4]+	281.202373	180.2
[M+K]+	302.131708	165.1
[M+H-H2O]+	246.165810	154.8
[M+HCOO]-	308.166751	181.0
[M+CH3COO]-	322.182401	199.1
[M+Na-2H]-	284.143216	161.3
[M]+	263.16800142	160.7
[M]-	263.16909858	160.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.